Information card for entry 1566811
Formula |
C15 H11 B N4 |
Calculated formula |
C15 H11 B N4 |
Title of publication |
Design and Synthesis of Stable Four-Coordinated Benzotriazole-Borane with Tunable Fluorescence Emission |
Authors of publication |
Tang, Qi; Shi, Xiaodong; Richardson, David; Wojtas, Lukasz; Shan, Chuan; He, Ying; Lan, Yu; Yuan, Teng; Ye, Xiaohan; Li, Shi-Jun; Zhao, Kai |
Journal of publication |
Chemical Science |
Year of publication |
2022 |
a |
15.4138 ± 0.0004 Å |
b |
5.2751 ± 0.0001 Å |
c |
15.4456 ± 0.0005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1255.87 ± 0.06 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 K |
Number of distinct elements |
4 |
Space group number |
29 |
Hermann-Mauguin space group symbol |
P c a 21 |
Hall space group symbol |
P 2c -2ac |
Residual factor for all reflections |
0.0477 |
Residual factor for significantly intense reflections |
0.0405 |
Weighted residual factors for significantly intense reflections |
0.0907 |
Weighted residual factors for all reflections included in the refinement |
0.0946 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.086 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/1566811.html